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Application

Discovery Studio 0.7796709753231492 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06449221645663454 Amorphous Cell 0.29429206819866566 Blends 0.002223869532987398 CASTEP 0.32987398072646407 CDOCKER 0.14010378057820608 CHARMm 0.22164566345441067 COMPASS 0.3558191252779837 COMPASS III 0.12157153446997776 COSMObase 0.0037064492216456633 COSMOconf 0.005930318754633061 COSMOmic 0.0 COSMOperm 7.412898443291327E-4 COSMOplex 0.0 COSMOquick 0.0 COSMOtherm 0.06893995552260934 Catalyst 0.06078576723498888 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.08005930318754632 DFTB Plus 0.0014825796886582653 DMol3 0.14381022979985175 DPD 0.002223869532987398 Discover 0.002223869532987398 Forcite 0.5559673832468495 GULP 0.012601927353595256 LUDI 0.0014825796886582653 LibDock 0.05782060785767235 LigandFit 0.002223869532987398 MODELER 0.20311341734618235 Mesocite 0.004447739065974796 Mesoscale 0.007412898443291327 Morphology 0.018532246108228317 ONETEP 7.412898443291327E-4 Polymorph 0.0 QMERA 0.0 Quantum Mechanics 0.469236471460341 Reflex 0.05930318754633061 Reflex Plus 0.0 Semi-empirical 0.0037064492216456633 Sorption 0.05485544848035582 Synthia 7.412898443291327E-4 TURBOMOLE 0.0 VAMP 7.412898443291327E-4 Visualization 0.5997034840622684 X-Cell 0.0 ZDOCK 0.02223869532987398

Year

2025 0.8857954545454545 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.30245901639344264 analysis 0.2168032786885246 docking 0.18729508196721312 between 0.15081967213114755 visualization 0.15 promising 0.09836065573770492 energy 0.0889344262295082 novel 0.08442622950819673 cell 0.08401639344262295 performance 0.07008196721311476 stability 0.05942622950819672 binding 0.05245901639344262 activity 0.045081967213114756 enhanced 0.03647540983606557 strong 0.03360655737704918 including 0.029098360655737704 strategy 0.027049180327868853 development 0.023770491803278688 mechanism 0.021721311475409837 effective 0.020901639344262295 design 0.020491803278688523 synthesized 0.013114754098360656 experimental 0.00819672131147541 interaction 0.0
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